(Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide

C8H15N3 — CID 134512819

IUPAC(Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide
SMILESC/C=C\C(N)=N\C(C)=C(\C)N
InChIInChI=1S/C8H15N3/c1-4-5-8(10)11-7(3)6(2)9/h4-5H,9H2,1-3H3,(H2,10,11)/b5-4-,7-6-
InChIKeyBSWAYXIJOLHCOY-RZSVFLSASA-N
MW153.23 g/mol
LogP1.13
Rot. Bonds2

About (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide

(Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide (PubChem CID 134512819) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide
PubChem CID134512819
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide
SMILESC/C=C\C(N)=N\C(C)=C(\C)N
InChIInChI=1S/C8H15N3/c1-4-5-8(10)11-7(3)6(2)9/h4-5H,9H2,1-3H3,(H2,10,11)/b5-4-,7-6-
InChIKeyBSWAYXIJOLHCOY-RZSVFLSASA-N
XLogP1.13
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide?
The IUPAC name of (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide (CID 134512819) is (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide.
What is the SMILES notation for (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide?
The canonical SMILES for (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide is C/C=C\C(N)=N\C(C)=C(\C)N.
What is the InChIKey of (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide?
The InChIKey is BSWAYXIJOLHCOY-RZSVFLSASA-N. The full InChI is InChI=1S/C8H15N3/c1-4-5-8(10)11-7(3)6(2)9/h4-5H,9H2,1-3H3,(H2,10,11)/b5-4-,7-6-.
What are the key properties of (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide?
(Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(Z)-3-aminobut-2-en-2-yl]but-2-enimidamide is sourced from PubChem (CID 134512819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).